[gmx-users] Fatal error: Atom N01 in residue HEM 187 was not found in rtp entry HEME with 47 atoms while sorting atoms.

[Mark Abraham]

Hi,

Please do not use all capital letters in emails. People think it is like
shouting.

On Tue, Jun 13, 2017 at 11:25 PM Rana Rehan Khalid <rrkhalid at umich.edu>
wrote:

> SIR
>
> I AM FACING ABOVE PROBLEM CAN YOU GUIDE ME HOW CAN I MAKE CHANGES IN .RTP
> FILE TO ADD THAT KIND OF INTERACTION BETWEEN FE AND NITRIC OXIDE NO
>

You should start by deciding what interactions you need to have - consult
the literature for what others have done, and reflect on that. If it is not
something others have done, then it is probably an unsuitable project for a
beginner. You will need to be well acquainted with the relevant parts of
chapter 5 of the reference manual. Good luck!

Mark


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